3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine

C16H22N6 — CID 139023230

IUPAC3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine
SMILESCC(C)(C)c1ccc(N2CCN(c3ccncn3)CC2)nn1
InChIInChI=1S/C16H22N6/c1-16(2,3)13-4-5-15(20-19-13)22-10-8-21(9-11-22)14-6-7-17-12-18-14/h4-7,12H,8-11H2,1-3H3
InChIKeyLSTWNPJUOYNAJE-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.89
Rot. Bonds2

About 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine

3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine (PubChem CID 139023230) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine
PubChem CID139023230
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine
SMILESCC(C)(C)c1ccc(N2CCN(c3ccncn3)CC2)nn1
InChIInChI=1S/C16H22N6/c1-16(2,3)13-4-5-15(20-19-13)22-10-8-21(9-11-22)14-6-7-17-12-18-14/h4-7,12H,8-11H2,1-3H3
InChIKeyLSTWNPJUOYNAJE-UHFFFAOYSA-N
XLogP1.89
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine (CID 139023230) is 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine is CC(C)(C)c1ccc(N2CCN(c3ccncn3)CC2)nn1.
What is the InChIKey of 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine?
The InChIKey is LSTWNPJUOYNAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-16(2,3)13-4-5-15(20-19-13)22-10-8-21(9-11-22)14-6-7-17-12-18-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine?
3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine has a molecular weight of 298.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 139023230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).